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	hartrees
Energy at 0K	-133.051994
Energy at 298.15K	-133.055983
HF Energy	-132.521282
Nuclear repulsion energy	65.008029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3054	3.40
2	A'	3112	2955	4.43
3	A'	3070	2914	13.20
4	A'	2155	2046	105.55
5	A'	1504	1428	13.86
6	A'	1406	1335	5.47
7	A'	1285	1220	4.52
8	A'	1088	1033	11.38
9	A'	946	898	1.73
10	A'	444	422	22.34
11	A"	3186	3025	4.06
12	A"	1513	1436	9.80
13	A"	1152	1094	1.55
14	A"	814	772	7.32
15	A"	225	214	2.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.477	0.000
C2	-0.815	-0.780	0.000
N3	1.216	0.520	0.000
H4	-0.550	1.419	0.000
H5	-0.170	-1.648	0.000
H6	-1.452	-0.796	0.878
H7	-1.452	-0.796	-0.878

	C1	C2	N3	H4	H5	H6	H7
C1		1.4977	1.2167	1.0910	2.1318	2.1206	2.1206
C2	1.4977		2.4108	2.2147	1.0812	1.0846	1.0846
N3	1.2167	2.4108		1.9820	2.5730	3.1010	3.1010
H4	1.0910	2.2147	1.9820		3.0905	2.5471	2.5471
H5	2.1318	1.0812	2.5730	3.0905		1.7716	1.7716
H6	2.1206	1.0846	3.1010	2.5471	1.7716		1.7553
H7	2.1206	1.0846	3.1010	2.5471	1.7716	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.465	C1	C2	H6	109.373
C1	C2	H7	109.373	C2	C1	N3	124.961
C2	C1	H4	116.763	N3	C1	H4	118.275
H5	C2	H6	109.773	H5	C2	H7	109.773
H6	C2	H7	108.042

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHN (methylmethaniminyl radical)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)